| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:47 UTC |
|---|
| Update Date | 2025-03-21 18:39:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00124123 |
|---|
| Frequency | 20.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12O4S |
|---|
| Molecular Mass | 192.0456 |
|---|
| SMILES | CS(=O)CCCCC(=O)C(=O)O |
|---|
| InChI Key | HLRNOGCSPSAAMQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | medium-chain keto acids and derivatives |
|---|
| Direct Parent | medium-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfinyl compoundssulfoxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidealpha-keto acidhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
|---|
